CID 3049110

Aziridine, 1-(1,1-dipropylbutyl)-

Structural Information

Molecular Formula

C₁₂H₂₅N

SMILES

CCCC(CCC)(CCC)N1CC1

InChI

InChI=1S/C12H25N/c1-4-7-12(8-5-2,9-6-3)13-10-11-13/h4-11H2,1-3H3

InChIKey

KIPUQPQBOINFRD-UHFFFAOYSA-N

Compound name

1-(4-propylheptan-4-yl)aziridine

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 2
Patents: 183.1987 Da
Monoisotopic Mass: 3.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Å²) per adduct calculated using CCSbase.
Adduct	m/z	Predicted CCS (Å²)
[M+H]+	184.205976	150.0
[M+Na]+	206.187918	157.2
[M-H]-	182.191424	152.5
[M+NH4]+	201.232523	164.3
[M+K]+	222.161858	154.6
[M+H-H2O]+	166.195960	143.1
[M+HCOO]-	228.196901	169.7
[M+CH3COO]-	242.212551	189.9
[M+Na-2H]-	204.173366	155.0
[M]+	183.19815142	154.6
[M]-	183.19924858	154.6

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe